Commit 11bb5a5f authored by Lukas Pravda's avatar Lukas Pravda
Browse files

black formatting

parent 317b1c98
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...@@ -33,7 +33,7 @@ import logging ...@@ -33,7 +33,7 @@ import logging
import os import os
import sys import sys
import traceback import traceback
from typing import List from typing import Dict, Optional
import rdkit import rdkit
...@@ -58,12 +58,12 @@ class PDBeChemManager: ...@@ -58,12 +58,12 @@ class PDBeChemManager:
Args: Args:
logger (logging.Logger, optional): Defaults to None. Application log logger (logging.Logger, optional): Defaults to None. Application log
""" """
self.compounds: List[ccd_reader.CCDReaderResult] = [] # processed compounds self.compounds: Dict[str, ccd_reader.CCDReaderResult] = {} # processed compounds
self.ligands_to_process: int = 0 # no. ligands to process self.ligands_to_process: int = 0 # no. ligands to process
self.output_dir: str = "" # where the results will be written self.output_dir: str = "" # where the results will be written
self.depictions: DepictionManager = None # helper class to get nice depictions self.depictions: Optional[DepictionManager] = None # helper class to get nice depictions
self.pubchem: PubChemDownloader = None # helper class to download templates if needed self.pubchem: Optional[PubChemDownloader] = None # helper class to download templates if needed
self.fragment_library: FragmentLibrary = None # Fragments library to get substructure matches self.fragment_library: Optional[FragmentLibrary] = None # Fragments library to get substructure matches
self.logger = ( self.logger = (
logger if logger is not None else logging.getLogger(__name__) logger if logger is not None else logging.getLogger(__name__)
) # log of the application ) # log of the application
......
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